Information card for entry 7007372

Structure parameters

• Formula: C16 H12 N2 O8 Pt S4
• Calculated formula: C16 H12 N2 O8 Pt S4
• SMILES: OC(=O)c1cc[nH+]cc1.[Pt]12(SC(=O)C(=O)S2)SC(=O)C(=O)S1.c1cc(cc[nH+]1)C(=O)O
• Title of publication: Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.
• Authors of publication: Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4078 - 4092
• a: 7.7014 ± 0.0012 Å
• b: 8.4515 ± 0.0014 Å
• c: 8.682 ± 0.0014 Å
• α: 72.757 ± 0.003°
• β: 67.078 ± 0.002°
• γ: 77.891 ± 0.003°
• Cell volume: 494.22 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No